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CAS 887588-20-7 2-BROMOMETHYL-5NITROPYRIDINE molecular structure lightbox
CAS RN: 887588-20-7

2-BROMOMETHYL-5NITROPYRIDINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250827 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-200385
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 887588-20-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

887588-20-7 / 2-(bromomethyl)-5-nitropyridine

Standard CAS: 887588-20-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
887588-20-7
Multi CAS
No
Molecular Formula
BC6H5O2Rn2
Molecular Weight
217.020000
Exact Mass
215.953440
InChI
InChI=1S/C6H5BrN2O2/c7-3-5-1-2-6(4-8-5)9(10)11/h1-2,4H,3H2
InChIKey
IODCATCUKODATB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
43.52
TPSA
56.03

LogP / Solubility

WLOGP
1.88
MLOGP
1.66
XLogP3
1.2
Consensus LogP
1.58
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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